2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide

C18H21FN2O4 — CID 16853898

IUPAC2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO
InChIInChI=1S/C18H21FN2O4/c1-12(2)20-18(24)9-21-8-17(16(23)7-15(21)10-22)25-11-13-3-5-14(19)6-4-13/h3-8,12,22H,9-11H2,1-2H3,(H,20,24)
InChIKeyBTEHIPJESULEPO-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.58
Rot. Bonds7

About 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide

2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide (PubChem CID 16853898) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
PubChem CID16853898
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Name2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO
InChIInChI=1S/C18H21FN2O4/c1-12(2)20-18(24)9-21-8-17(16(23)7-15(21)10-22)25-11-13-3-5-14(19)6-4-13/h3-8,12,22H,9-11H2,1-2H3,(H,20,24)
InChIKeyBTEHIPJESULEPO-UHFFFAOYSA-N
XLogP1.58
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide (CID 16853898) is 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The InChIKey is BTEHIPJESULEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-12(2)20-18(24)9-21-8-17(16(23)7-15(21)10-22)25-11-13-3-5-14(19)6-4-13/h3-8,12,22H,9-11H2,1-2H3,(H,20,24).
What are the key properties of 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide has a molecular weight of 348.37 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 16853898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).